N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide

C26H33N3O5 — CID 55849949

IUPACN-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C26H33N3O5/c1-17(2)15-19-5-7-20(8-6-19)25(30)21-11-13-28(14-12-21)18(3)26(31)27-23-16-22(29(32)33)9-10-24(23)34-4/h5-10,16-18,21H,11-15H2,1-4H3,(H,27,31)
InChIKeyZQJLOELPAVCLDG-UHFFFAOYSA-N
MW467.57 g/mol
LogP4.72
Rot. Bonds9

About N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide

N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide (PubChem CID 55849949) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide
PubChem CID55849949
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC NameN-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1
InChIInChI=1S/C26H33N3O5/c1-17(2)15-19-5-7-20(8-6-19)25(30)21-11-13-28(14-12-21)18(3)26(31)27-23-16-22(29(32)33)9-10-24(23)34-4/h5-10,16-18,21H,11-15H2,1-4H3,(H,27,31)
InChIKeyZQJLOELPAVCLDG-UHFFFAOYSA-N
XLogP4.72
TPSA101.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-(azepan-1-ylmethyl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55852386
2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55842357
(2R)-2-[4-[(2R)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221210
(2S)-2-[4-[(2S)-1-hydroxypropan-2-yl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 97221207
N-(2-methoxy-5-nitrophenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782119
(2S)-N-(2-methoxy-5-nitrophenyl)-2-morpholin-4-ylpropanamide
CID 2654021
2-(4-benzoylpiperidin-1-yl)-N-(2,5-dimethoxyphenyl)propanamide
CID 16605888
N-(2-methoxy-5-nitrophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 51167725
(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 2368536
2-[4-(4-methoxybenzoyl)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 16605982
(2S)-2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 41379567
2-[4-[2-(benzylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide
CID 55494767

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide?
The IUPAC name of N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide (CID 55849949) is N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide.
What is the SMILES notation for N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide?
The canonical SMILES for N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide is COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)N1CCC(C(=O)c2ccc(CC(C)C)cc2)CC1.
What is the InChIKey of N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide?
The InChIKey is ZQJLOELPAVCLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c1-17(2)15-19-5-7-20(8-6-19)25(30)21-11-13-28(14-12-21)18(3)26(31)27-23-16-22(29(32)33)9-10-24(23)34-4/h5-10,16-18,21H,11-15H2,1-4H3,(H,27,31).
What are the key properties of N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide?
N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide has a molecular weight of 467.57 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-nitrophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperidin-1-yl]propanamide is sourced from PubChem (CID 55849949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).